[1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-butoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C28H34O4 MolecularWeight: 434.56716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C28H34O4/c1-4-6-21-30-22(3)28(18-16-24(17-19-28)23-10-8-7-9-11-23)32-27(29)25-12-14-26(15-13-25)31-20-5-2/h7-19,22,24H,4-6,20-21H2,1-3H3